USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 CYS SG : rot -5:sc= -2.9! USER MOD Set 1.2: A 64 ASN : amide:sc= 0.0557 K(o=-2.7,f=-11!) USER MOD Set 1.3: A 70 CYS SG : rot 22:sc= 0.146 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 ASN : amide:sc= -5.34! C(o=-6.2!,f=-13!) USER MOD Set 3.2: A 26 HIS : no HE2:sc= -0.209 K(o=-6.2,f=-11) USER MOD Set 3.3: A 36 THR OG1 : rot -52:sc= -1.86! USER MOD Set 3.4: A 88 THR OG1 : rot -56:sc= 1.23 USER MOD Single : A 19 SER OG : rot -24:sc= 0.193 USER MOD Single : A 22 GLN : amide:sc= -3.37! K(o=-3.4!,f=-0.18) USER MOD Single : A 25 HIS : no HE2:sc= -0.59 K(o=-0.59,f=-2.7) USER MOD Single : A 30 ASN : amide:sc= -0.0111 K(o=-0.011,f=-2.1!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc=-0.00469 (180deg=-0.0767) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.316 USER MOD Single : A 69 HIS : no HD1:sc=-0.00995 X(o=-0.0099,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.05 (180deg=-0.295) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.44! K(o=-1.4!,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.129 USER MOD Single : A 86 THR OG1 : rot -113:sc= 0.249 USER MOD Single : A 87 SER OG : rot 46:sc= -2.31! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.979 -0.352 -3.059 1.00 0.00 N ATOM 2 CA SER A 19 19.567 0.973 -3.570 1.00 0.00 C ATOM 3 C SER A 19 18.079 1.197 -3.317 1.00 0.00 C ATOM 4 O SER A 19 17.512 0.580 -2.414 1.00 0.00 O ATOM 5 CB SER A 19 19.879 1.062 -5.069 1.00 0.00 C ATOM 6 OG SER A 19 19.346 -0.051 -5.772 1.00 0.00 O ATOM 0 HA SER A 19 20.122 1.751 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.464 1.984 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.958 1.106 -5.216 1.00 0.00 H new ATOM 0 HG SER A 19 19.243 -0.807 -5.157 1.00 0.00 H new ATOM 14 N PHE A 20 17.468 2.104 -4.079 1.00 0.00 N ATOM 15 CA PHE A 20 16.031 2.335 -4.011 1.00 0.00 C ATOM 16 C PHE A 20 15.276 1.028 -4.209 1.00 0.00 C ATOM 17 O PHE A 20 15.544 0.279 -5.150 1.00 0.00 O ATOM 18 CB PHE A 20 15.583 3.340 -5.075 1.00 0.00 C ATOM 19 CG PHE A 20 16.431 4.577 -5.156 1.00 0.00 C ATOM 20 CD1 PHE A 20 16.252 5.613 -4.258 1.00 0.00 C ATOM 21 CD2 PHE A 20 17.401 4.704 -6.136 1.00 0.00 C ATOM 22 CE1 PHE A 20 17.025 6.756 -4.332 1.00 0.00 C ATOM 23 CE2 PHE A 20 18.178 5.844 -6.217 1.00 0.00 C ATOM 24 CZ PHE A 20 17.990 6.871 -5.313 1.00 0.00 C ATOM 0 H PHE A 20 17.954 2.694 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 20 15.808 2.743 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.587 2.847 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.553 3.633 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.498 5.528 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.552 3.903 -6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.875 7.558 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.931 5.932 -6.986 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.597 7.762 -5.373 1.00 0.00 H new ATOM 34 N VAL A 21 14.330 0.770 -3.330 1.00 0.00 N ATOM 35 CA VAL A 21 13.623 -0.499 -3.324 1.00 0.00 C ATOM 36 C VAL A 21 12.172 -0.321 -3.749 1.00 0.00 C ATOM 37 O VAL A 21 11.475 0.568 -3.261 1.00 0.00 O ATOM 38 CB VAL A 21 13.660 -1.147 -1.920 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.187 -2.593 -1.976 1.00 0.00 C ATOM 40 CG2 VAL A 21 15.057 -1.061 -1.325 1.00 0.00 C ATOM 0 H VAL A 21 14.030 1.424 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 21 14.128 -1.151 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 21 12.978 -0.593 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.222 -3.026 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.164 -2.627 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.836 -3.163 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.061 -1.522 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.761 -1.584 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.352 -0.015 -1.238 1.00 0.00 H new ATOM 50 N GLN A 22 11.729 -1.152 -4.680 1.00 0.00 N ATOM 51 CA GLN A 22 10.323 -1.199 -5.048 1.00 0.00 C ATOM 52 C GLN A 22 9.633 -2.275 -4.221 1.00 0.00 C ATOM 53 O GLN A 22 10.210 -3.336 -3.980 1.00 0.00 O ATOM 54 CB GLN A 22 10.166 -1.480 -6.546 1.00 0.00 C ATOM 55 CG GLN A 22 10.895 -2.730 -7.023 1.00 0.00 C ATOM 56 CD GLN A 22 9.955 -3.847 -7.446 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.291 -4.663 -8.301 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.767 -3.888 -6.862 1.00 0.00 N ATOM 0 H GLN A 22 12.323 -1.803 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 22 9.860 -0.233 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.105 -1.580 -6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.535 -0.621 -7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.539 -2.469 -7.862 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.543 -3.092 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.522 -3.194 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.097 -4.614 -7.118 1.00 0.00 H new ATOM 67 N CYS A 23 8.411 -2.016 -3.783 1.00 0.00 N ATOM 68 CA CYS A 23 7.733 -2.928 -2.872 1.00 0.00 C ATOM 69 C CYS A 23 6.218 -2.861 -3.028 1.00 0.00 C ATOM 70 O CYS A 23 5.653 -1.799 -3.281 1.00 0.00 O ATOM 71 CB CYS A 23 8.123 -2.593 -1.429 1.00 0.00 C ATOM 72 SG CYS A 23 9.870 -2.863 -1.057 1.00 0.00 S ATOM 0 H CYS A 23 7.871 -1.190 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 23 8.046 -3.943 -3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.877 -1.550 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.520 -3.198 -0.751 1.00 0.00 H new ATOM 0 HG CYS A 23 10.455 -3.400 -2.086 1.00 0.00 H new ATOM 78 N ASN A 24 5.559 -4.000 -2.878 1.00 0.00 N ATOM 79 CA ASN A 24 4.104 -4.048 -2.931 1.00 0.00 C ATOM 80 C ASN A 24 3.522 -3.481 -1.648 1.00 0.00 C ATOM 81 O ASN A 24 3.636 -4.080 -0.583 1.00 0.00 O ATOM 82 CB ASN A 24 3.605 -5.479 -3.157 1.00 0.00 C ATOM 83 CG ASN A 24 4.440 -6.513 -2.431 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.188 -6.839 -1.272 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.441 -7.040 -3.117 1.00 0.00 N ATOM 0 H ASN A 24 6.007 -4.903 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 24 3.771 -3.442 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.570 -5.555 -2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.613 -5.697 -4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.039 -7.745 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.615 -6.741 -4.077 1.00 0.00 H new ATOM 92 N HIS A 25 2.913 -2.314 -1.753 1.00 0.00 N ATOM 93 CA HIS A 25 2.331 -1.657 -0.592 1.00 0.00 C ATOM 94 C HIS A 25 1.038 -2.365 -0.213 1.00 0.00 C ATOM 95 O HIS A 25 0.077 -2.372 -0.982 1.00 0.00 O ATOM 96 CB HIS A 25 2.061 -0.177 -0.877 1.00 0.00 C ATOM 97 CG HIS A 25 3.289 0.653 -1.150 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.486 0.128 -1.587 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.490 1.989 -1.047 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.366 1.100 -1.740 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.788 2.244 -1.421 1.00 0.00 N ATOM 0 H HIS A 25 2.807 -1.801 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 25 3.037 -1.713 0.237 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.393 -0.104 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.533 0.251 -0.025 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.665 -0.860 -1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.762 2.721 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.387 0.980 -2.071 1.00 0.00 H new ATOM 110 N HIS A 26 1.037 -2.994 0.944 1.00 0.00 N ATOM 111 CA HIS A 26 -0.118 -3.764 1.396 1.00 0.00 C ATOM 112 C HIS A 26 -1.141 -2.876 2.075 1.00 0.00 C ATOM 113 O HIS A 26 -0.803 -2.104 2.970 1.00 0.00 O ATOM 114 CB HIS A 26 0.297 -4.861 2.381 1.00 0.00 C ATOM 115 CG HIS A 26 0.902 -6.079 1.752 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.533 -7.361 2.103 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.867 -6.214 0.816 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.247 -8.226 1.409 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.063 -7.557 0.620 1.00 0.00 N ATOM 0 H HIS A 26 1.822 -2.991 1.595 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.558 -4.216 0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.013 -4.442 3.088 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.579 -5.164 2.955 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.180 -7.602 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.388 -5.412 0.315 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.175 -9.301 1.476 1.00 0.00 H new ATOM 128 N LEU A 27 -2.388 -3.013 1.666 1.00 0.00 N ATOM 129 CA LEU A 27 -3.484 -2.343 2.339 1.00 0.00 C ATOM 130 C LEU A 27 -4.144 -3.348 3.273 1.00 0.00 C ATOM 131 O LEU A 27 -4.486 -4.463 2.862 1.00 0.00 O ATOM 132 CB LEU A 27 -4.499 -1.791 1.320 1.00 0.00 C ATOM 133 CG LEU A 27 -5.428 -0.664 1.822 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.334 -1.140 2.940 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.616 0.531 2.292 1.00 0.00 C ATOM 0 H LEU A 27 -2.668 -3.584 0.868 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.109 -1.493 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.949 -1.421 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.120 -2.617 0.973 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.054 -0.365 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.972 -0.319 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.955 -1.961 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.728 -1.483 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.289 1.314 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.959 0.227 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.016 0.911 1.465 1.00 0.00 H new ATOM 147 N LEU A 28 -4.289 -2.963 4.526 1.00 0.00 N ATOM 148 CA LEU A 28 -4.838 -3.840 5.534 1.00 0.00 C ATOM 149 C LEU A 28 -6.314 -3.549 5.759 1.00 0.00 C ATOM 150 O LEU A 28 -6.706 -2.422 6.088 1.00 0.00 O ATOM 151 CB LEU A 28 -4.060 -3.688 6.840 1.00 0.00 C ATOM 152 CG LEU A 28 -3.553 -4.999 7.447 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.709 -5.939 7.756 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.561 -5.658 6.503 1.00 0.00 C ATOM 0 H LEU A 28 -4.030 -2.038 4.870 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.745 -4.868 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.207 -3.033 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.698 -3.190 7.570 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.048 -4.774 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.322 -6.863 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.385 -5.463 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.249 -6.165 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.205 -6.590 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.049 -5.868 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.717 -4.989 6.338 1.00 0.00 H new ATOM 166 N TYR A 29 -7.119 -4.578 5.576 1.00 0.00 N ATOM 167 CA TYR A 29 -8.550 -4.501 5.791 1.00 0.00 C ATOM 168 C TYR A 29 -8.849 -5.112 7.150 1.00 0.00 C ATOM 169 O TYR A 29 -8.076 -5.938 7.627 1.00 0.00 O ATOM 170 CB TYR A 29 -9.286 -5.261 4.682 1.00 0.00 C ATOM 171 CG TYR A 29 -10.750 -4.906 4.522 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.236 -3.652 4.879 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.641 -5.822 3.974 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.569 -3.328 4.702 1.00 0.00 C ATOM 175 CE2 TYR A 29 -12.974 -5.505 3.799 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.432 -4.257 4.160 1.00 0.00 C ATOM 177 OH TYR A 29 -14.760 -3.932 3.971 1.00 0.00 O ATOM 0 H TYR A 29 -6.796 -5.496 5.272 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.888 -3.465 5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.777 -5.075 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.207 -6.330 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.562 -2.921 5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.285 -6.798 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -12.932 -2.352 4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.654 -6.232 3.381 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.231 -4.697 3.579 1.00 0.00 H new ATOM 187 N ASN A 30 -9.931 -4.671 7.780 1.00 0.00 N ATOM 188 CA ASN A 30 -10.292 -5.134 9.120 1.00 0.00 C ATOM 189 C ASN A 30 -10.218 -6.653 9.235 1.00 0.00 C ATOM 190 O ASN A 30 -11.135 -7.367 8.822 1.00 0.00 O ATOM 191 CB ASN A 30 -11.707 -4.672 9.476 1.00 0.00 C ATOM 192 CG ASN A 30 -11.815 -3.169 9.615 1.00 0.00 C ATOM 193 OD1 ASN A 30 -12.029 -2.457 8.635 1.00 0.00 O ATOM 194 ND2 ASN A 30 -11.690 -2.680 10.835 1.00 0.00 N ATOM 0 H ASN A 30 -10.579 -3.990 7.384 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.572 -4.702 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.400 -5.012 8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.013 -5.142 10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.771 -1.675 10.993 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.513 -3.307 11.620 1.00 0.00 H new ATOM 201 N GLY A 31 -9.117 -7.137 9.798 1.00 0.00 N ATOM 202 CA GLY A 31 -8.983 -8.547 10.086 1.00 0.00 C ATOM 203 C GLY A 31 -8.085 -9.302 9.120 1.00 0.00 C ATOM 204 O GLY A 31 -7.601 -10.384 9.458 1.00 0.00 O ATOM 0 H GLY A 31 -8.311 -6.570 10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.589 -8.663 11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.973 -9.003 10.075 1.00 0.00 H new ATOM 208 N ARG A 32 -7.839 -8.761 7.926 1.00 0.00 N ATOM 209 CA ARG A 32 -7.104 -9.525 6.918 1.00 0.00 C ATOM 210 C ARG A 32 -6.568 -8.650 5.780 1.00 0.00 C ATOM 211 O ARG A 32 -7.059 -7.550 5.528 1.00 0.00 O ATOM 212 CB ARG A 32 -8.018 -10.611 6.337 1.00 0.00 C ATOM 213 CG ARG A 32 -7.278 -11.850 5.862 1.00 0.00 C ATOM 214 CD ARG A 32 -6.567 -12.540 7.015 1.00 0.00 C ATOM 215 NE ARG A 32 -5.962 -13.809 6.608 1.00 0.00 N ATOM 216 CZ ARG A 32 -5.237 -14.578 7.423 1.00 0.00 C ATOM 217 NH1 ARG A 32 -4.980 -14.172 8.661 1.00 0.00 N ATOM 218 NH2 ARG A 32 -4.752 -15.738 6.995 1.00 0.00 N ATOM 0 H ARG A 32 -8.128 -7.826 7.639 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.242 -9.969 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.746 -10.903 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.578 -10.192 5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.981 -12.542 5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.552 -11.573 5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.794 -11.881 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.277 -12.720 7.823 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.102 -14.123 5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.337 -13.274 8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.426 -14.758 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.933 -16.045 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.198 -16.322 7.622 1.00 0.00 H new ATOM 232 N HIS A 33 -5.526 -9.164 5.124 1.00 0.00 N ATOM 233 CA HIS A 33 -4.964 -8.591 3.901 1.00 0.00 C ATOM 234 C HIS A 33 -6.052 -8.279 2.870 1.00 0.00 C ATOM 235 O HIS A 33 -6.767 -9.174 2.414 1.00 0.00 O ATOM 236 CB HIS A 33 -3.942 -9.592 3.331 1.00 0.00 C ATOM 237 CG HIS A 33 -3.632 -9.442 1.866 1.00 0.00 C ATOM 238 ND1 HIS A 33 -4.181 -10.263 0.907 1.00 0.00 N ATOM 239 CD2 HIS A 33 -2.811 -8.593 1.200 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.719 -9.928 -0.281 1.00 0.00 C ATOM 241 NE2 HIS A 33 -2.883 -8.917 -0.135 1.00 0.00 N ATOM 0 H HIS A 33 -5.041 -10.006 5.434 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.477 -7.644 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.013 -9.494 3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.314 -10.602 3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.212 -7.808 1.637 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.980 -10.401 -1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.374 -8.453 -0.888 1.00 0.00 H new ATOM 250 N TRP A 34 -6.163 -7.006 2.508 1.00 0.00 N ATOM 251 CA TRP A 34 -7.143 -6.578 1.520 1.00 0.00 C ATOM 252 C TRP A 34 -6.566 -6.687 0.114 1.00 0.00 C ATOM 253 O TRP A 34 -7.117 -7.375 -0.745 1.00 0.00 O ATOM 254 CB TRP A 34 -7.570 -5.134 1.795 1.00 0.00 C ATOM 255 CG TRP A 34 -8.631 -4.633 0.865 1.00 0.00 C ATOM 256 CD1 TRP A 34 -9.974 -4.843 0.969 1.00 0.00 C ATOM 257 CD2 TRP A 34 -8.438 -3.838 -0.310 1.00 0.00 C ATOM 258 NE1 TRP A 34 -10.630 -4.231 -0.070 1.00 0.00 N ATOM 259 CE2 TRP A 34 -9.708 -3.607 -0.869 1.00 0.00 C ATOM 260 CE3 TRP A 34 -7.316 -3.302 -0.943 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -9.886 -2.862 -2.032 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -7.493 -2.562 -2.097 1.00 0.00 C ATOM 263 CH2 TRP A 34 -8.769 -2.349 -2.631 1.00 0.00 C ATOM 0 H TRP A 34 -5.586 -6.254 2.884 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.014 -7.229 1.593 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -7.934 -5.061 2.820 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.697 -4.486 1.719 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.452 -5.409 1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.639 -4.239 -0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.327 -3.462 -0.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.870 -2.696 -2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.632 -2.141 -2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.874 -1.767 -3.535 1.00 0.00 H new ATOM 274 N GLY A 35 -5.441 -6.020 -0.104 1.00 0.00 N ATOM 275 CA GLY A 35 -4.817 -6.014 -1.411 1.00 0.00 C ATOM 276 C GLY A 35 -3.471 -5.335 -1.373 1.00 0.00 C ATOM 277 O GLY A 35 -3.016 -4.922 -0.301 1.00 0.00 O ATOM 0 H GLY A 35 -4.947 -5.480 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.700 -7.038 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.465 -5.503 -2.123 1.00 0.00 H new ATOM 281 N THR A 36 -2.818 -5.228 -2.518 1.00 0.00 N ATOM 282 CA THR A 36 -1.513 -4.603 -2.576 1.00 0.00 C ATOM 283 C THR A 36 -1.215 -4.063 -3.975 1.00 0.00 C ATOM 284 O THR A 36 -1.657 -4.629 -4.976 1.00 0.00 O ATOM 285 CB THR A 36 -0.409 -5.591 -2.136 1.00 0.00 C ATOM 286 OG1 THR A 36 0.800 -4.887 -1.854 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.145 -6.641 -3.202 1.00 0.00 C ATOM 0 H THR A 36 -3.170 -5.565 -3.414 1.00 0.00 H new ATOM 0 HA THR A 36 -1.522 -3.761 -1.884 1.00 0.00 H new ATOM 0 HB THR A 36 -0.759 -6.095 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.030 -4.314 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.637 -7.319 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.058 -7.206 -3.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.176 -6.153 -4.122 1.00 0.00 H new ATOM 295 N ILE A 37 -0.484 -2.957 -4.034 1.00 0.00 N ATOM 296 CA ILE A 37 -0.009 -2.411 -5.297 1.00 0.00 C ATOM 297 C ILE A 37 1.511 -2.250 -5.223 1.00 0.00 C ATOM 298 O ILE A 37 2.027 -1.640 -4.278 1.00 0.00 O ATOM 299 CB ILE A 37 -0.647 -1.029 -5.641 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.181 -1.099 -5.726 1.00 0.00 C ATOM 301 CG2 ILE A 37 -0.081 -0.501 -6.951 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.875 -1.081 -4.379 1.00 0.00 C ATOM 0 H ILE A 37 -0.206 -2.418 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.301 -3.107 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.394 -0.347 -4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.540 -0.258 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.464 -2.008 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.534 0.464 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.999 -0.383 -6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.302 -1.205 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.954 -1.133 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.547 -1.937 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.624 -0.160 -3.853 1.00 0.00 H new ATOM 314 N ARG A 38 2.235 -2.808 -6.190 1.00 0.00 N ATOM 315 CA ARG A 38 3.687 -2.683 -6.193 1.00 0.00 C ATOM 316 C ARG A 38 4.108 -1.296 -6.646 1.00 0.00 C ATOM 317 O ARG A 38 3.751 -0.834 -7.731 1.00 0.00 O ATOM 318 CB ARG A 38 4.363 -3.771 -7.036 1.00 0.00 C ATOM 319 CG ARG A 38 4.498 -5.080 -6.279 1.00 0.00 C ATOM 320 CD ARG A 38 5.630 -5.955 -6.808 1.00 0.00 C ATOM 321 NE ARG A 38 5.371 -6.453 -8.157 1.00 0.00 N ATOM 322 CZ ARG A 38 5.851 -7.601 -8.637 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.481 -8.457 -7.844 1.00 0.00 N ATOM 324 NH2 ARG A 38 5.659 -7.918 -9.911 1.00 0.00 N ATOM 0 H ARG A 38 1.847 -3.342 -6.968 1.00 0.00 H new ATOM 0 HA ARG A 38 4.025 -2.826 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.784 -3.937 -7.945 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.350 -3.428 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.671 -4.868 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.559 -5.630 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.557 -5.382 -6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.777 -6.800 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 38 4.786 -5.886 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.603 -8.241 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.843 -9.332 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.145 -7.284 -10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.026 -8.796 -10.279 1.00 0.00 H new ATOM 338 N LYS A 39 4.847 -0.635 -5.775 1.00 0.00 N ATOM 339 CA LYS A 39 5.307 0.724 -6.009 1.00 0.00 C ATOM 340 C LYS A 39 6.652 0.925 -5.321 1.00 0.00 C ATOM 341 O LYS A 39 6.934 0.292 -4.306 1.00 0.00 O ATOM 342 CB LYS A 39 4.277 1.717 -5.453 1.00 0.00 C ATOM 343 CG LYS A 39 4.591 3.177 -5.754 1.00 0.00 C ATOM 344 CD LYS A 39 4.488 3.481 -7.241 1.00 0.00 C ATOM 345 CE LYS A 39 3.063 3.315 -7.743 1.00 0.00 C ATOM 346 NZ LYS A 39 2.949 3.602 -9.195 1.00 0.00 N ATOM 0 H LYS A 39 5.147 -1.025 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 39 5.422 0.895 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.297 1.475 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.210 1.587 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.903 3.818 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.596 3.413 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.826 4.500 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.151 2.817 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.726 2.297 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.403 3.982 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.962 3.477 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.246 4.581 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.559 2.949 -9.727 1.00 0.00 H new ATOM 360 N LYS A 40 7.488 1.788 -5.878 1.00 0.00 N ATOM 361 CA LYS A 40 8.795 2.061 -5.299 1.00 0.00 C ATOM 362 C LYS A 40 8.659 2.831 -3.992 1.00 0.00 C ATOM 363 O LYS A 40 7.660 3.518 -3.762 1.00 0.00 O ATOM 364 CB LYS A 40 9.658 2.859 -6.271 1.00 0.00 C ATOM 365 CG LYS A 40 9.843 2.186 -7.617 1.00 0.00 C ATOM 366 CD LYS A 40 10.826 2.951 -8.484 1.00 0.00 C ATOM 367 CE LYS A 40 12.211 2.988 -7.855 1.00 0.00 C ATOM 368 NZ LYS A 40 13.209 3.641 -8.739 1.00 0.00 N ATOM 0 H LYS A 40 7.285 2.311 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 40 9.275 1.103 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.206 3.839 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.637 3.026 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.200 1.167 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.882 2.117 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.884 2.486 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.466 3.969 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.163 3.522 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.535 1.971 -7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.138 3.644 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.275 3.117 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.915 4.620 -8.931 1.00 0.00 H new ATOM 382 N ALA A 41 9.662 2.699 -3.136 1.00 0.00 N ATOM 383 CA ALA A 41 9.703 3.426 -1.879 1.00 0.00 C ATOM 384 C ALA A 41 9.776 4.926 -2.134 1.00 0.00 C ATOM 385 O ALA A 41 10.423 5.372 -3.080 1.00 0.00 O ATOM 386 CB ALA A 41 10.886 2.968 -1.043 1.00 0.00 C ATOM 0 H ALA A 41 10.464 2.089 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 41 8.788 3.216 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.904 3.521 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.793 1.902 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.811 3.151 -1.590 1.00 0.00 H new ATOM 392 N GLY A 42 9.091 5.699 -1.304 1.00 0.00 N ATOM 393 CA GLY A 42 9.076 7.140 -1.470 1.00 0.00 C ATOM 394 C GLY A 42 7.968 7.602 -2.395 1.00 0.00 C ATOM 395 O GLY A 42 7.393 8.675 -2.203 1.00 0.00 O ATOM 0 H GLY A 42 8.543 5.354 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.954 7.614 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.037 7.468 -1.866 1.00 0.00 H new ATOM 399 N TRP A 43 7.668 6.797 -3.399 1.00 0.00 N ATOM 400 CA TRP A 43 6.609 7.112 -4.342 1.00 0.00 C ATOM 401 C TRP A 43 5.245 6.809 -3.732 1.00 0.00 C ATOM 402 O TRP A 43 5.035 5.748 -3.134 1.00 0.00 O ATOM 403 CB TRP A 43 6.797 6.325 -5.641 1.00 0.00 C ATOM 404 CG TRP A 43 8.000 6.753 -6.428 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.278 6.298 -6.286 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.034 7.730 -7.476 1.00 0.00 C ATOM 407 NE1 TRP A 43 10.104 6.925 -7.186 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.365 7.811 -7.927 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.069 8.542 -8.079 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.753 8.671 -8.950 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.457 9.396 -9.093 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.788 9.456 -9.520 1.00 0.00 C ATOM 0 H TRP A 43 8.146 5.915 -3.583 1.00 0.00 H new ATOM 0 HA TRP A 43 6.658 8.176 -4.572 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.885 5.264 -5.405 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.907 6.441 -6.260 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.594 5.553 -5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.105 6.759 -7.287 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.039 8.502 -7.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.780 8.717 -9.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.720 10.029 -9.565 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.059 10.135 -10.315 1.00 0.00 H new ATOM 423 N ALA A 44 4.331 7.760 -3.869 1.00 0.00 N ATOM 424 CA ALA A 44 2.983 7.612 -3.359 1.00 0.00 C ATOM 425 C ALA A 44 2.206 6.584 -4.176 1.00 0.00 C ATOM 426 O ALA A 44 2.349 6.510 -5.396 1.00 0.00 O ATOM 427 CB ALA A 44 2.265 8.952 -3.381 1.00 0.00 C ATOM 0 H ALA A 44 4.506 8.650 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 44 3.041 7.258 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.253 8.829 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.806 9.665 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.221 9.324 -4.404 1.00 0.00 H new ATOM 433 N VAL A 45 1.395 5.794 -3.499 1.00 0.00 N ATOM 434 CA VAL A 45 0.570 4.793 -4.155 1.00 0.00 C ATOM 435 C VAL A 45 -0.894 5.018 -3.779 1.00 0.00 C ATOM 436 O VAL A 45 -1.182 5.643 -2.754 1.00 0.00 O ATOM 437 CB VAL A 45 1.015 3.365 -3.759 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.616 3.045 -2.329 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.460 2.328 -4.719 1.00 0.00 C ATOM 0 H VAL A 45 1.288 5.826 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 45 0.686 4.892 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 45 2.103 3.330 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.941 2.035 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.087 3.757 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.467 3.112 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.791 1.335 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.629 2.367 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.820 2.536 -5.727 1.00 0.00 H new ATOM 449 N ARG A 46 -1.812 4.526 -4.601 1.00 0.00 N ATOM 450 CA ARG A 46 -3.231 4.765 -4.375 1.00 0.00 C ATOM 451 C ARG A 46 -3.904 3.560 -3.723 1.00 0.00 C ATOM 452 O ARG A 46 -3.645 2.414 -4.093 1.00 0.00 O ATOM 453 CB ARG A 46 -3.945 5.131 -5.692 1.00 0.00 C ATOM 454 CG ARG A 46 -4.364 3.951 -6.571 1.00 0.00 C ATOM 455 CD ARG A 46 -3.177 3.201 -7.168 1.00 0.00 C ATOM 456 NE ARG A 46 -3.610 2.134 -8.072 1.00 0.00 N ATOM 457 CZ ARG A 46 -2.830 1.559 -8.989 1.00 0.00 C ATOM 458 NH1 ARG A 46 -1.577 1.965 -9.164 1.00 0.00 N ATOM 459 NH2 ARG A 46 -3.312 0.583 -9.745 1.00 0.00 N ATOM 0 H ARG A 46 -1.601 3.963 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.314 5.608 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.834 5.715 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.287 5.777 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.963 3.259 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.000 4.314 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.540 3.900 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.574 2.776 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.573 1.808 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.202 2.724 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.990 1.518 -9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.277 0.274 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.718 0.141 -10.447 1.00 0.00 H new ATOM 473 N PHE A 47 -4.746 3.829 -2.732 1.00 0.00 N ATOM 474 CA PHE A 47 -5.597 2.807 -2.146 1.00 0.00 C ATOM 475 C PHE A 47 -7.035 3.305 -2.136 1.00 0.00 C ATOM 476 O PHE A 47 -7.297 4.445 -1.749 1.00 0.00 O ATOM 477 CB PHE A 47 -5.156 2.465 -0.720 1.00 0.00 C ATOM 478 CG PHE A 47 -3.786 1.862 -0.625 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.528 0.611 -1.162 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.760 2.537 0.016 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.272 0.046 -1.062 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.506 1.973 0.122 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.261 0.727 -0.418 1.00 0.00 C ATOM 0 H PHE A 47 -4.856 4.754 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.517 1.901 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.183 3.372 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.876 1.771 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.318 0.072 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.944 3.514 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.082 -0.928 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.715 2.507 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.279 0.286 -0.336 1.00 0.00 H new ATOM 493 N TYR A 48 -7.960 2.461 -2.558 1.00 0.00 N ATOM 494 CA TYR A 48 -9.355 2.860 -2.680 1.00 0.00 C ATOM 495 C TYR A 48 -10.277 1.670 -2.472 1.00 0.00 C ATOM 496 O TYR A 48 -9.884 0.523 -2.692 1.00 0.00 O ATOM 497 CB TYR A 48 -9.605 3.490 -4.056 1.00 0.00 C ATOM 498 CG TYR A 48 -9.161 2.627 -5.218 1.00 0.00 C ATOM 499 CD1 TYR A 48 -9.995 1.650 -5.747 1.00 0.00 C ATOM 500 CD2 TYR A 48 -7.903 2.787 -5.783 1.00 0.00 C ATOM 501 CE1 TYR A 48 -9.590 0.862 -6.806 1.00 0.00 C ATOM 502 CE2 TYR A 48 -7.491 2.003 -6.841 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.338 1.043 -7.347 1.00 0.00 C ATOM 504 OH TYR A 48 -7.932 0.264 -8.407 1.00 0.00 O ATOM 0 H TYR A 48 -7.772 1.494 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.570 3.598 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.669 3.701 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.084 4.446 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.977 1.504 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.235 3.538 -5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.252 0.108 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.510 2.142 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.023 0.519 -8.671 1.00 0.00 H new ATOM 514 N GLU A 49 -11.493 1.948 -2.034 1.00 0.00 N ATOM 515 CA GLU A 49 -12.494 0.913 -1.863 1.00 0.00 C ATOM 516 C GLU A 49 -13.462 0.944 -3.035 1.00 0.00 C ATOM 517 O GLU A 49 -14.015 1.990 -3.372 1.00 0.00 O ATOM 518 CB GLU A 49 -13.257 1.086 -0.537 1.00 0.00 C ATOM 519 CG GLU A 49 -14.066 2.370 -0.449 1.00 0.00 C ATOM 520 CD GLU A 49 -14.763 2.545 0.890 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.532 1.646 1.291 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.560 3.593 1.539 1.00 0.00 O ATOM 0 H GLU A 49 -11.810 2.886 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.990 -0.053 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.927 0.237 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.543 1.062 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.407 3.220 -0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.812 2.378 -1.244 1.00 0.00 H new ATOM 529 N GLU A 50 -13.638 -0.192 -3.675 1.00 0.00 N ATOM 530 CA GLU A 50 -14.596 -0.298 -4.756 1.00 0.00 C ATOM 531 C GLU A 50 -15.714 -1.256 -4.366 1.00 0.00 C ATOM 532 O GLU A 50 -15.544 -2.475 -4.354 1.00 0.00 O ATOM 533 CB GLU A 50 -13.917 -0.728 -6.066 1.00 0.00 C ATOM 534 CG GLU A 50 -13.063 -1.981 -5.959 1.00 0.00 C ATOM 535 CD GLU A 50 -12.445 -2.371 -7.284 1.00 0.00 C ATOM 536 OE1 GLU A 50 -13.178 -2.890 -8.157 1.00 0.00 O ATOM 537 OE2 GLU A 50 -11.227 -2.167 -7.462 1.00 0.00 O ATOM 0 H GLU A 50 -13.132 -1.053 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 50 -15.031 0.686 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.686 -0.893 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.292 0.092 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.273 -1.818 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.675 -2.804 -5.590 1.00 0.00 H new ATOM 544 N LYS A 51 -16.847 -0.686 -4.001 1.00 0.00 N ATOM 545 CA LYS A 51 -18.009 -1.467 -3.607 1.00 0.00 C ATOM 546 C LYS A 51 -18.877 -1.715 -4.832 1.00 0.00 C ATOM 547 O LYS A 51 -19.153 -0.783 -5.583 1.00 0.00 O ATOM 548 CB LYS A 51 -18.809 -0.720 -2.535 1.00 0.00 C ATOM 549 CG LYS A 51 -17.985 -0.302 -1.325 1.00 0.00 C ATOM 550 CD LYS A 51 -17.585 -1.486 -0.459 1.00 0.00 C ATOM 551 CE LYS A 51 -16.765 -1.023 0.733 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.451 -2.121 1.687 1.00 0.00 N ATOM 0 H LYS A 51 -16.990 0.323 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.684 -2.420 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.255 0.168 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.630 -1.355 -2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.088 0.218 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.558 0.406 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.477 -2.008 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.008 -2.197 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.834 -0.582 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.309 -0.238 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.891 -1.744 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.336 -2.527 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.907 -2.860 1.198 1.00 0.00 H new ATOM 566 N PRO A 52 -19.297 -2.969 -5.063 1.00 0.00 N ATOM 567 CA PRO A 52 -20.086 -3.333 -6.247 1.00 0.00 C ATOM 568 C PRO A 52 -21.334 -2.470 -6.400 1.00 0.00 C ATOM 569 O PRO A 52 -22.226 -2.491 -5.548 1.00 0.00 O ATOM 570 CB PRO A 52 -20.478 -4.788 -5.984 1.00 0.00 C ATOM 571 CG PRO A 52 -19.439 -5.299 -5.044 1.00 0.00 C ATOM 572 CD PRO A 52 -19.037 -4.130 -4.192 1.00 0.00 C ATOM 0 HA PRO A 52 -19.522 -3.189 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.474 -4.856 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.494 -5.366 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.833 -6.110 -4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.583 -5.697 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.621 -4.082 -3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.988 -4.187 -3.900 1.00 0.00 H new ATOM 580 N GLY A 53 -21.385 -1.707 -7.485 1.00 0.00 N ATOM 581 CA GLY A 53 -22.516 -0.834 -7.735 1.00 0.00 C ATOM 582 C GLY A 53 -22.211 0.610 -7.386 1.00 0.00 C ATOM 583 O GLY A 53 -22.994 1.512 -7.685 1.00 0.00 O ATOM 0 H GLY A 53 -20.658 -1.678 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.799 -0.900 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.372 -1.174 -7.152 1.00 0.00 H new ATOM 587 N GLN A 54 -21.079 0.819 -6.728 1.00 0.00 N ATOM 588 CA GLN A 54 -20.625 2.153 -6.360 1.00 0.00 C ATOM 589 C GLN A 54 -19.243 2.433 -6.953 1.00 0.00 C ATOM 590 O GLN A 54 -18.483 1.506 -7.242 1.00 0.00 O ATOM 591 CB GLN A 54 -20.574 2.273 -4.836 1.00 0.00 C ATOM 592 CG GLN A 54 -21.913 2.008 -4.172 1.00 0.00 C ATOM 593 CD GLN A 54 -21.860 2.142 -2.664 1.00 0.00 C ATOM 594 OE1 GLN A 54 -22.026 3.238 -2.123 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.664 1.032 -1.973 1.00 0.00 N ATOM 0 H GLN A 54 -20.451 0.071 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.326 2.887 -6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.837 1.571 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.234 3.273 -4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.653 2.704 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.249 1.004 -4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.531 0.145 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.646 1.062 -0.954 1.00 0.00 H new ATOM 604 N PRO A 55 -18.908 3.715 -7.165 1.00 0.00 N ATOM 605 CA PRO A 55 -17.581 4.116 -7.635 1.00 0.00 C ATOM 606 C PRO A 55 -16.536 3.977 -6.533 1.00 0.00 C ATOM 607 O PRO A 55 -16.865 4.016 -5.345 1.00 0.00 O ATOM 608 CB PRO A 55 -17.768 5.582 -8.013 1.00 0.00 C ATOM 609 CG PRO A 55 -18.883 6.054 -7.146 1.00 0.00 C ATOM 610 CD PRO A 55 -19.798 4.873 -6.970 1.00 0.00 C ATOM 0 HA PRO A 55 -17.225 3.499 -8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.858 6.156 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.014 5.691 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.508 6.404 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.409 6.890 -7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.256 4.865 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.610 4.882 -7.698 1.00 0.00 H new ATOM 618 N LYS A 56 -15.280 3.819 -6.925 1.00 0.00 N ATOM 619 CA LYS A 56 -14.213 3.616 -5.960 1.00 0.00 C ATOM 620 C LYS A 56 -13.910 4.904 -5.206 1.00 0.00 C ATOM 621 O LYS A 56 -13.910 5.996 -5.780 1.00 0.00 O ATOM 622 CB LYS A 56 -12.941 3.072 -6.626 1.00 0.00 C ATOM 623 CG LYS A 56 -12.308 3.994 -7.663 1.00 0.00 C ATOM 624 CD LYS A 56 -13.030 3.940 -8.998 1.00 0.00 C ATOM 625 CE LYS A 56 -12.290 4.724 -10.069 1.00 0.00 C ATOM 626 NZ LYS A 56 -12.157 6.160 -9.719 1.00 0.00 N ATOM 0 H LYS A 56 -14.977 3.828 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.560 2.869 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.204 2.863 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.178 2.122 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.316 5.018 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.264 3.715 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.134 2.902 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.037 4.341 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.299 4.293 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.819 4.630 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.754 6.678 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.094 6.550 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.530 6.260 -8.895 1.00 0.00 H new ATOM 640 N ARG A 57 -13.664 4.766 -3.917 1.00 0.00 N ATOM 641 CA ARG A 57 -13.392 5.902 -3.054 1.00 0.00 C ATOM 642 C ARG A 57 -11.997 5.771 -2.470 1.00 0.00 C ATOM 643 O ARG A 57 -11.642 4.713 -1.953 1.00 0.00 O ATOM 644 CB ARG A 57 -14.429 5.960 -1.925 1.00 0.00 C ATOM 645 CG ARG A 57 -14.199 7.086 -0.929 1.00 0.00 C ATOM 646 CD ARG A 57 -14.417 8.448 -1.561 1.00 0.00 C ATOM 647 NE ARG A 57 -14.111 9.535 -0.635 1.00 0.00 N ATOM 648 CZ ARG A 57 -14.706 10.725 -0.661 1.00 0.00 C ATOM 649 NH1 ARG A 57 -15.636 10.988 -1.573 1.00 0.00 N ATOM 650 NH2 ARG A 57 -14.367 11.656 0.225 1.00 0.00 N ATOM 0 H ARG A 57 -13.647 3.865 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.454 6.821 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.421 6.073 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.423 5.010 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.874 6.966 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.183 7.024 -0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.791 8.540 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.452 8.533 -1.891 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.397 9.372 0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.896 10.277 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.090 11.901 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.651 11.458 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.823 12.568 0.206 1.00 0.00 H new ATOM 664 N LEU A 58 -11.203 6.830 -2.575 1.00 0.00 N ATOM 665 CA LEU A 58 -9.861 6.830 -2.013 1.00 0.00 C ATOM 666 C LEU A 58 -9.912 6.583 -0.515 1.00 0.00 C ATOM 667 O LEU A 58 -10.586 7.304 0.220 1.00 0.00 O ATOM 668 CB LEU A 58 -9.142 8.149 -2.302 1.00 0.00 C ATOM 669 CG LEU A 58 -8.319 8.182 -3.593 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.294 7.058 -3.596 1.00 0.00 C ATOM 671 CD2 LEU A 58 -9.219 8.087 -4.813 1.00 0.00 C ATOM 0 H LEU A 58 -11.466 7.697 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.301 6.024 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.885 8.946 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.481 8.374 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.791 9.135 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.717 7.094 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.624 7.175 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.806 6.098 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.610 8.113 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.780 7.153 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.913 8.927 -4.819 1.00 0.00 H new ATOM 683 N VAL A 59 -9.208 5.557 -0.073 1.00 0.00 N ATOM 684 CA VAL A 59 -9.223 5.180 1.332 1.00 0.00 C ATOM 685 C VAL A 59 -7.889 5.474 1.985 1.00 0.00 C ATOM 686 O VAL A 59 -7.788 5.520 3.209 1.00 0.00 O ATOM 687 CB VAL A 59 -9.567 3.690 1.536 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.914 3.368 0.923 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.487 2.785 0.964 1.00 0.00 C ATOM 0 H VAL A 59 -8.619 4.970 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.004 5.778 1.802 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.618 3.504 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.141 2.313 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.684 3.977 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.888 3.582 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.762 1.743 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.384 2.972 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.539 2.991 1.461 1.00 0.00 H new ATOM 699 N ALA A 60 -6.862 5.643 1.162 1.00 0.00 N ATOM 700 CA ALA A 60 -5.555 6.005 1.655 1.00 0.00 C ATOM 701 C ALA A 60 -4.622 6.372 0.525 1.00 0.00 C ATOM 702 O ALA A 60 -4.556 5.697 -0.503 1.00 0.00 O ATOM 703 CB ALA A 60 -4.954 4.871 2.464 1.00 0.00 C ATOM 0 H ALA A 60 -6.917 5.533 0.149 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.680 6.877 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.969 5.165 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.601 4.647 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.860 3.985 1.835 1.00 0.00 H new ATOM 709 N ILE A 61 -3.913 7.455 0.723 1.00 0.00 N ATOM 710 CA ILE A 61 -2.796 7.793 -0.130 1.00 0.00 C ATOM 711 C ILE A 61 -1.536 7.554 0.675 1.00 0.00 C ATOM 712 O ILE A 61 -1.280 8.256 1.654 1.00 0.00 O ATOM 713 CB ILE A 61 -2.828 9.257 -0.634 1.00 0.00 C ATOM 714 CG1 ILE A 61 -4.107 9.531 -1.438 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.601 9.536 -1.488 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.309 9.876 -0.587 1.00 0.00 C ATOM 0 H ILE A 61 -4.090 8.124 1.473 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.840 7.171 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.822 9.921 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.919 10.351 -2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.341 8.652 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.629 10.567 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.701 9.380 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.592 8.861 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.171 10.055 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.526 9.049 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.098 10.773 -0.005 1.00 0.00 H new ATOM 728 N CYS A 62 -0.766 6.555 0.291 1.00 0.00 N ATOM 729 CA CYS A 62 0.300 6.077 1.150 1.00 0.00 C ATOM 730 C CYS A 62 1.605 5.949 0.388 1.00 0.00 C ATOM 731 O CYS A 62 1.619 5.602 -0.792 1.00 0.00 O ATOM 732 CB CYS A 62 -0.089 4.728 1.761 1.00 0.00 C ATOM 733 SG CYS A 62 0.839 4.310 3.264 1.00 0.00 S ATOM 0 H CYS A 62 -0.856 6.064 -0.598 1.00 0.00 H new ATOM 0 HA CYS A 62 0.447 6.806 1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.154 4.739 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.067 3.945 1.019 1.00 0.00 H new ATOM 738 N LYS A 63 2.698 6.249 1.062 1.00 0.00 N ATOM 739 CA LYS A 63 4.017 6.096 0.486 1.00 0.00 C ATOM 740 C LYS A 63 4.985 5.660 1.570 1.00 0.00 C ATOM 741 O LYS A 63 4.702 5.803 2.757 1.00 0.00 O ATOM 742 CB LYS A 63 4.478 7.402 -0.163 1.00 0.00 C ATOM 743 CG LYS A 63 4.710 8.545 0.809 1.00 0.00 C ATOM 744 CD LYS A 63 5.111 9.807 0.067 1.00 0.00 C ATOM 745 CE LYS A 63 3.904 10.517 -0.526 1.00 0.00 C ATOM 746 NZ LYS A 63 4.292 11.723 -1.306 1.00 0.00 N ATOM 0 H LYS A 63 2.696 6.603 2.018 1.00 0.00 H new ATOM 0 HA LYS A 63 3.985 5.335 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.402 7.214 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.732 7.711 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.803 8.729 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.490 8.272 1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.631 10.480 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.812 9.554 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.360 9.828 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.225 10.807 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.439 12.176 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.789 12.393 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.920 11.444 -2.087 1.00 0.00 H new ATOM 760 N ASN A 64 6.113 5.112 1.164 1.00 0.00 N ATOM 761 CA ASN A 64 7.076 4.588 2.117 1.00 0.00 C ATOM 762 C ASN A 64 7.922 5.708 2.702 1.00 0.00 C ATOM 763 O ASN A 64 8.272 6.649 1.992 1.00 0.00 O ATOM 764 CB ASN A 64 7.963 3.534 1.455 1.00 0.00 C ATOM 765 CG ASN A 64 9.000 2.971 2.404 1.00 0.00 C ATOM 766 OD1 ASN A 64 8.717 2.064 3.179 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.212 3.497 2.345 1.00 0.00 N ATOM 0 H ASN A 64 6.386 5.017 0.186 1.00 0.00 H new ATOM 0 HA ASN A 64 6.528 4.116 2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.339 2.722 1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.465 3.975 0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.949 3.149 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.409 4.251 1.687 1.00 0.00 H new ATOM 774 N ALA A 65 8.223 5.598 3.999 1.00 0.00 N ATOM 775 CA ALA A 65 8.985 6.614 4.733 1.00 0.00 C ATOM 776 C ALA A 65 10.160 7.152 3.923 1.00 0.00 C ATOM 777 O ALA A 65 10.211 8.339 3.594 1.00 0.00 O ATOM 778 CB ALA A 65 9.488 6.037 6.049 1.00 0.00 C ATOM 0 H ALA A 65 7.945 4.801 4.571 1.00 0.00 H new ATOM 0 HA ALA A 65 8.311 7.448 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.053 6.798 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.640 5.718 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.132 5.181 5.848 1.00 0.00 H new ATOM 784 N SER A 66 11.088 6.269 3.594 1.00 0.00 N ATOM 785 CA SER A 66 12.264 6.641 2.826 1.00 0.00 C ATOM 786 C SER A 66 11.991 6.485 1.334 1.00 0.00 C ATOM 787 O SER A 66 11.347 5.525 0.912 1.00 0.00 O ATOM 788 CB SER A 66 13.458 5.769 3.239 1.00 0.00 C ATOM 789 OG SER A 66 14.608 6.045 2.450 1.00 0.00 O ATOM 0 H SER A 66 11.048 5.282 3.849 1.00 0.00 H new ATOM 0 HA SER A 66 12.501 7.685 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.688 5.941 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.192 4.717 3.139 1.00 0.00 H new ATOM 0 HG SER A 66 15.349 5.474 2.741 1.00 0.00 H new ATOM 795 N PRO A 67 12.454 7.445 0.522 1.00 0.00 N ATOM 796 CA PRO A 67 12.377 7.347 -0.935 1.00 0.00 C ATOM 797 C PRO A 67 13.461 6.432 -1.495 1.00 0.00 C ATOM 798 O PRO A 67 13.537 6.201 -2.701 1.00 0.00 O ATOM 799 CB PRO A 67 12.601 8.785 -1.394 1.00 0.00 C ATOM 800 CG PRO A 67 13.456 9.391 -0.333 1.00 0.00 C ATOM 801 CD PRO A 67 13.077 8.711 0.958 1.00 0.00 C ATOM 0 HA PRO A 67 11.433 6.922 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.093 8.819 -2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.657 9.320 -1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.513 9.243 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.291 10.467 -0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.949 8.532 1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.384 9.318 1.541 1.00 0.00 H new ATOM 809 N VAL A 68 14.308 5.926 -0.604 1.00 0.00 N ATOM 810 CA VAL A 68 15.378 5.027 -0.991 1.00 0.00 C ATOM 811 C VAL A 68 15.038 3.599 -0.594 1.00 0.00 C ATOM 812 O VAL A 68 14.675 2.779 -1.430 1.00 0.00 O ATOM 813 CB VAL A 68 16.723 5.416 -0.347 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.849 4.633 -0.992 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.972 6.913 -0.462 1.00 0.00 C ATOM 0 H VAL A 68 14.269 6.128 0.395 1.00 0.00 H new ATOM 0 HA VAL A 68 15.480 5.103 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 68 16.684 5.168 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.797 4.913 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.678 3.566 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.883 4.856 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.928 7.159 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.994 7.199 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.173 7.455 0.045 1.00 0.00 H new ATOM 825 N HIS A 69 15.135 3.308 0.694 1.00 0.00 N ATOM 826 CA HIS A 69 14.881 1.959 1.178 1.00 0.00 C ATOM 827 C HIS A 69 13.452 1.855 1.686 1.00 0.00 C ATOM 828 O HIS A 69 12.816 2.871 1.960 1.00 0.00 O ATOM 829 CB HIS A 69 15.837 1.587 2.312 1.00 0.00 C ATOM 830 CG HIS A 69 17.285 1.764 1.987 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.166 2.402 2.828 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.010 1.371 0.915 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.368 2.393 2.292 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.305 1.771 1.129 1.00 0.00 N ATOM 0 H HIS A 69 15.386 3.981 1.418 1.00 0.00 H new ATOM 0 HA HIS A 69 15.038 1.271 0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.597 2.193 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.665 0.547 2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.638 0.841 0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.257 2.822 2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.089 1.614 0.495 1.00 0.00 H new ATOM 843 N CYS A 70 12.965 0.636 1.845 1.00 0.00 N ATOM 844 CA CYS A 70 11.599 0.415 2.297 1.00 0.00 C ATOM 845 C CYS A 70 11.577 0.130 3.795 1.00 0.00 C ATOM 846 O CYS A 70 12.348 -0.691 4.293 1.00 0.00 O ATOM 847 CB CYS A 70 10.961 -0.742 1.522 1.00 0.00 C ATOM 848 SG CYS A 70 9.220 -1.043 1.919 1.00 0.00 S ATOM 0 H CYS A 70 13.495 -0.218 1.668 1.00 0.00 H new ATOM 0 HA CYS A 70 11.019 1.318 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.047 -0.539 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.528 -1.652 1.720 1.00 0.00 H new ATOM 0 HG CYS A 70 8.700 0.032 2.434 1.00 0.00 H new ATOM 854 N ASN A 71 10.691 0.821 4.502 1.00 0.00 N ATOM 855 CA ASN A 71 10.595 0.713 5.953 1.00 0.00 C ATOM 856 C ASN A 71 9.142 0.531 6.365 1.00 0.00 C ATOM 857 O ASN A 71 8.668 -0.590 6.557 1.00 0.00 O ATOM 858 CB ASN A 71 11.149 1.971 6.642 1.00 0.00 C ATOM 859 CG ASN A 71 12.620 2.226 6.379 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.413 1.301 6.218 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.993 3.495 6.342 1.00 0.00 N ATOM 0 H ASN A 71 10.021 1.469 4.088 1.00 0.00 H new ATOM 0 HA ASN A 71 11.186 -0.150 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.576 2.836 6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.994 1.881 7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.970 3.735 6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.303 4.234 6.481 1.00 0.00 H new ATOM 868 N TYR A 72 8.441 1.652 6.482 1.00 0.00 N ATOM 869 CA TYR A 72 7.047 1.665 6.894 1.00 0.00 C ATOM 870 C TYR A 72 6.252 2.535 5.937 1.00 0.00 C ATOM 871 O TYR A 72 6.828 3.341 5.197 1.00 0.00 O ATOM 872 CB TYR A 72 6.911 2.218 8.317 1.00 0.00 C ATOM 873 CG TYR A 72 7.984 1.734 9.263 1.00 0.00 C ATOM 874 CD1 TYR A 72 8.037 0.405 9.657 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.949 2.604 9.752 1.00 0.00 C ATOM 876 CE1 TYR A 72 9.021 -0.045 10.515 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.935 2.163 10.613 1.00 0.00 C ATOM 878 CZ TYR A 72 9.967 0.837 10.988 1.00 0.00 C ATOM 879 OH TYR A 72 10.952 0.390 11.837 1.00 0.00 O ATOM 0 H TYR A 72 8.825 2.578 6.293 1.00 0.00 H new ATOM 0 HA TYR A 72 6.665 0.644 6.878 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.938 3.307 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.936 1.937 8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.297 -0.289 9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.928 3.642 9.455 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.049 -1.083 10.813 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.676 2.853 10.990 1.00 0.00 H new ATOM 0 HH TYR A 72 11.540 1.136 12.078 1.00 0.00 H new ATOM 889 N LEU A 73 4.939 2.396 5.976 1.00 0.00 N ATOM 890 CA LEU A 73 4.069 3.123 5.069 1.00 0.00 C ATOM 891 C LEU A 73 3.395 4.287 5.777 1.00 0.00 C ATOM 892 O LEU A 73 2.720 4.106 6.790 1.00 0.00 O ATOM 893 CB LEU A 73 3.003 2.196 4.481 1.00 0.00 C ATOM 894 CG LEU A 73 3.507 1.190 3.448 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.336 0.450 2.812 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.347 1.899 2.396 1.00 0.00 C ATOM 0 H LEU A 73 4.450 1.784 6.629 1.00 0.00 H new ATOM 0 HA LEU A 73 4.688 3.513 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.532 1.648 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.228 2.808 4.019 1.00 0.00 H new ATOM 0 HG LEU A 73 4.137 0.453 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.712 -0.263 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.780 -0.082 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.678 1.166 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.702 1.173 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.741 2.654 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.201 2.379 2.875 1.00 0.00 H new ATOM 908 N LYS A 74 3.595 5.481 5.244 1.00 0.00 N ATOM 909 CA LYS A 74 2.957 6.676 5.771 1.00 0.00 C ATOM 910 C LYS A 74 1.796 7.061 4.873 1.00 0.00 C ATOM 911 O LYS A 74 1.990 7.541 3.752 1.00 0.00 O ATOM 912 CB LYS A 74 3.953 7.840 5.883 1.00 0.00 C ATOM 913 CG LYS A 74 4.853 7.776 7.112 1.00 0.00 C ATOM 914 CD LYS A 74 5.792 6.584 7.070 1.00 0.00 C ATOM 915 CE LYS A 74 6.575 6.447 8.365 1.00 0.00 C ATOM 916 NZ LYS A 74 5.690 6.158 9.526 1.00 0.00 N ATOM 0 H LYS A 74 4.200 5.649 4.440 1.00 0.00 H new ATOM 0 HA LYS A 74 2.590 6.460 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.577 7.856 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.398 8.778 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.436 8.694 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.237 7.720 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.219 5.674 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.484 6.694 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.309 5.648 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.129 7.367 8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.261 5.792 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.210 7.032 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.981 5.448 9.253 1.00 0.00 H new ATOM 930 N CYS A 75 0.592 6.816 5.357 1.00 0.00 N ATOM 931 CA CYS A 75 -0.603 7.055 4.576 1.00 0.00 C ATOM 932 C CYS A 75 -1.381 8.236 5.136 1.00 0.00 C ATOM 933 O CYS A 75 -1.393 8.470 6.348 1.00 0.00 O ATOM 934 CB CYS A 75 -1.489 5.811 4.579 1.00 0.00 C ATOM 935 SG CYS A 75 -0.580 4.233 4.716 1.00 0.00 S ATOM 0 H CYS A 75 0.418 6.450 6.293 1.00 0.00 H new ATOM 0 HA CYS A 75 -0.304 7.284 3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.192 5.884 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.078 5.798 3.662 1.00 0.00 H new ATOM 940 N THR A 76 -2.024 8.975 4.253 1.00 0.00 N ATOM 941 CA THR A 76 -2.860 10.087 4.655 1.00 0.00 C ATOM 942 C THR A 76 -4.269 9.901 4.095 1.00 0.00 C ATOM 943 O THR A 76 -4.457 9.176 3.115 1.00 0.00 O ATOM 944 CB THR A 76 -2.269 11.438 4.190 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.982 12.520 4.803 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.329 11.578 2.675 1.00 0.00 C ATOM 0 H THR A 76 -1.982 8.823 3.245 1.00 0.00 H new ATOM 0 HA THR A 76 -2.903 10.105 5.744 1.00 0.00 H new ATOM 0 HB THR A 76 -1.223 11.469 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.602 13.373 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.906 12.539 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.758 10.773 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.366 11.523 2.345 1.00 0.00 H new ATOM 954 N ASN A 77 -5.245 10.552 4.730 1.00 0.00 N ATOM 955 CA ASN A 77 -6.653 10.439 4.339 1.00 0.00 C ATOM 956 C ASN A 77 -7.137 8.997 4.451 1.00 0.00 C ATOM 957 O ASN A 77 -7.630 8.422 3.484 1.00 0.00 O ATOM 958 CB ASN A 77 -6.886 10.966 2.914 1.00 0.00 C ATOM 959 CG ASN A 77 -6.838 12.480 2.831 1.00 0.00 C ATOM 960 OD1 ASN A 77 -7.852 13.157 3.011 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.662 13.022 2.551 1.00 0.00 N ATOM 0 H ASN A 77 -5.084 11.170 5.526 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.230 11.056 5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.132 10.546 2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.855 10.618 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.572 14.035 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.847 12.426 2.409 1.00 0.00 H new ATOM 968 N LEU A 78 -6.985 8.425 5.642 1.00 0.00 N ATOM 969 CA LEU A 78 -7.402 7.052 5.903 1.00 0.00 C ATOM 970 C LEU A 78 -8.920 6.946 5.994 1.00 0.00 C ATOM 971 O LEU A 78 -9.594 7.875 6.446 1.00 0.00 O ATOM 972 CB LEU A 78 -6.773 6.551 7.205 1.00 0.00 C ATOM 973 CG LEU A 78 -5.246 6.519 7.219 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.735 6.036 8.566 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.723 5.632 6.102 1.00 0.00 C ATOM 0 H LEU A 78 -6.573 8.896 6.447 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.063 6.434 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.115 7.186 8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.143 5.546 7.406 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.879 7.532 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.645 6.020 8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.082 6.710 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.111 5.031 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.633 5.621 6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.100 4.618 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.060 6.020 5.141 1.00 0.00 H new ATOM 987 N ALA A 79 -9.457 5.805 5.584 1.00 0.00 N ATOM 988 CA ALA A 79 -10.893 5.587 5.632 1.00 0.00 C ATOM 989 C ALA A 79 -11.255 4.651 6.777 1.00 0.00 C ATOM 990 O ALA A 79 -11.673 3.514 6.559 1.00 0.00 O ATOM 991 CB ALA A 79 -11.404 5.046 4.305 1.00 0.00 C ATOM 0 H ALA A 79 -8.921 5.019 5.216 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.378 6.547 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.481 4.891 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.184 5.761 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.913 4.098 4.085 1.00 0.00 H new ATOM 997 N ALA A 80 -11.062 5.147 7.996 1.00 0.00 N ATOM 998 CA ALA A 80 -11.401 4.421 9.221 1.00 0.00 C ATOM 999 C ALA A 80 -10.611 3.123 9.361 1.00 0.00 C ATOM 1000 O ALA A 80 -9.511 3.113 9.911 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.896 4.144 9.294 1.00 0.00 C ATOM 0 H ALA A 80 -10.663 6.070 8.165 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.122 5.064 10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.121 3.604 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.442 5.087 9.284 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.197 3.542 8.436 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.173 2.032 8.853 1.00 0.00 N ATOM 1008 CA GLY A 81 -10.526 0.743 8.968 1.00 0.00 C ATOM 1009 C GLY A 81 -9.535 0.506 7.854 1.00 0.00 C ATOM 1010 O GLY A 81 -8.664 -0.357 7.957 1.00 0.00 O ATOM 0 H GLY A 81 -12.067 2.020 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.014 0.679 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.280 -0.044 8.956 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.666 1.279 6.786 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.768 1.166 5.651 1.00 0.00 C ATOM 1016 C PHE A 82 -7.456 1.879 5.930 1.00 0.00 C ATOM 1017 O PHE A 82 -7.401 3.111 5.978 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.396 1.754 4.393 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.550 0.966 3.852 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.341 -0.066 2.949 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.845 1.262 4.236 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.403 -0.787 2.443 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -12.913 0.546 3.732 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.692 -0.481 2.835 1.00 0.00 C ATOM 0 H PHE A 82 -10.388 1.992 6.684 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.578 0.105 5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.733 2.768 4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.630 1.831 3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.335 -0.308 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.023 2.063 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.227 -1.589 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.920 0.789 4.039 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.525 -1.044 2.441 1.00 0.00 H new ATOM 1034 N SER A 83 -6.412 1.095 6.130 1.00 0.00 N ATOM 1035 CA SER A 83 -5.073 1.616 6.339 1.00 0.00 C ATOM 1036 C SER A 83 -4.066 0.614 5.804 1.00 0.00 C ATOM 1037 O SER A 83 -4.405 -0.542 5.574 1.00 0.00 O ATOM 1038 CB SER A 83 -4.828 1.877 7.825 1.00 0.00 C ATOM 1039 OG SER A 83 -5.851 2.701 8.366 1.00 0.00 O ATOM 0 H SER A 83 -6.469 0.077 6.152 1.00 0.00 H new ATOM 0 HA SER A 83 -4.963 2.562 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.793 0.931 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.859 2.357 7.960 1.00 0.00 H new ATOM 0 HG SER A 83 -5.677 2.855 9.318 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.842 1.047 5.598 1.00 0.00 N ATOM 1046 CA ALA A 84 -1.832 0.183 5.012 1.00 0.00 C ATOM 1047 C ALA A 84 -0.953 -0.407 6.103 1.00 0.00 C ATOM 1048 O ALA A 84 -0.880 0.137 7.205 1.00 0.00 O ATOM 1049 CB ALA A 84 -0.998 0.954 4.005 1.00 0.00 C ATOM 0 H ALA A 84 -2.519 1.988 5.825 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.327 -0.635 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.245 0.294 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.643 1.334 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.505 1.789 4.504 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.271 -1.502 5.793 1.00 0.00 N ATOM 1056 CA GLY A 85 0.420 -2.246 6.829 1.00 0.00 C ATOM 1057 C GLY A 85 1.904 -2.448 6.571 1.00 0.00 C ATOM 1058 O GLY A 85 2.740 -1.952 7.325 1.00 0.00 O ATOM 0 H GLY A 85 -0.184 -1.886 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.296 -1.725 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.054 -3.222 6.937 1.00 0.00 H new ATOM 1062 N THR A 86 2.237 -3.176 5.511 1.00 0.00 N ATOM 1063 CA THR A 86 3.614 -3.594 5.278 1.00 0.00 C ATOM 1064 C THR A 86 3.817 -3.971 3.805 1.00 0.00 C ATOM 1065 O THR A 86 2.984 -3.643 2.959 1.00 0.00 O ATOM 1066 CB THR A 86 3.962 -4.790 6.201 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.345 -5.150 6.078 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.086 -5.998 5.885 1.00 0.00 C ATOM 0 H THR A 86 1.574 -3.488 4.801 1.00 0.00 H new ATOM 0 HA THR A 86 4.282 -2.764 5.511 1.00 0.00 H new ATOM 0 HB THR A 86 3.771 -4.476 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.417 -6.037 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.351 -6.823 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.038 -5.736 6.033 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.242 -6.300 4.849 1.00 0.00 H new ATOM 1076 N SER A 87 4.920 -4.640 3.504 1.00 0.00 N ATOM 1077 CA SER A 87 5.221 -5.056 2.148 1.00 0.00 C ATOM 1078 C SER A 87 5.925 -6.410 2.153 1.00 0.00 C ATOM 1079 O SER A 87 6.662 -6.727 3.085 1.00 0.00 O ATOM 1080 CB SER A 87 6.093 -4.013 1.456 1.00 0.00 C ATOM 1081 OG SER A 87 6.197 -4.290 0.074 1.00 0.00 O ATOM 0 H SER A 87 5.626 -4.907 4.190 1.00 0.00 H new ATOM 0 HA SER A 87 4.285 -5.151 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.668 -3.020 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.086 -4.004 1.906 1.00 0.00 H new ATOM 0 HG SER A 87 5.311 -4.505 -0.284 1.00 0.00 H new ATOM 1087 N THR A 88 5.692 -7.202 1.114 1.00 0.00 N ATOM 1088 CA THR A 88 6.238 -8.551 1.027 1.00 0.00 C ATOM 1089 C THR A 88 6.700 -8.845 -0.402 1.00 0.00 C ATOM 1090 O THR A 88 7.061 -7.924 -1.133 1.00 0.00 O ATOM 1091 CB THR A 88 5.188 -9.596 1.445 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.023 -9.488 0.619 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.799 -9.436 2.906 1.00 0.00 C ATOM 0 H THR A 88 5.123 -6.930 0.312 1.00 0.00 H new ATOM 0 HA THR A 88 7.089 -8.612 1.706 1.00 0.00 H new ATOM 0 HB THR A 88 5.632 -10.583 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.672 -8.574 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.056 -10.189 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.681 -9.562 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.380 -8.442 3.064 1.00 0.00 H new ATOM 1101 N ASP A 89 6.698 -10.128 -0.780 1.00 0.00 N ATOM 1102 CA ASP A 89 6.979 -10.575 -2.156 1.00 0.00 C ATOM 1103 C ASP A 89 8.378 -10.202 -2.642 1.00 0.00 C ATOM 1104 O ASP A 89 9.261 -11.046 -2.687 1.00 0.00 O ATOM 1105 CB ASP A 89 5.919 -10.047 -3.127 1.00 0.00 C ATOM 1106 CG ASP A 89 6.344 -10.186 -4.577 1.00 0.00 C ATOM 1107 OD1 ASP A 89 6.511 -11.332 -5.048 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.534 -9.146 -5.242 1.00 0.00 O ATOM 0 H ASP A 89 6.500 -10.895 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 89 6.938 -11.664 -2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.986 -10.588 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.720 -8.998 -2.908 1.00 0.00 H new ATOM 1113 N VAL A 90 8.584 -8.946 -2.998 1.00 0.00 N ATOM 1114 CA VAL A 90 9.861 -8.518 -3.541 1.00 0.00 C ATOM 1115 C VAL A 90 10.954 -8.546 -2.476 1.00 0.00 C ATOM 1116 O VAL A 90 12.075 -8.983 -2.731 1.00 0.00 O ATOM 1117 CB VAL A 90 9.779 -7.114 -4.184 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.303 -7.220 -5.623 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.841 -6.207 -3.405 1.00 0.00 C ATOM 0 H VAL A 90 7.886 -8.207 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 90 10.120 -9.229 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 90 10.779 -6.680 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.250 -6.224 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 90 10.002 -7.832 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.315 -7.680 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.804 -5.227 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.842 -6.642 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.204 -6.100 -2.383 1.00 0.00 H new ATOM 1129 N LEU A 91 10.625 -8.084 -1.278 1.00 0.00 N ATOM 1130 CA LEU A 91 11.582 -8.086 -0.183 1.00 0.00 C ATOM 1131 C LEU A 91 11.519 -9.389 0.616 1.00 0.00 C ATOM 1132 O LEU A 91 12.538 -9.878 1.098 1.00 0.00 O ATOM 1133 CB LEU A 91 11.357 -6.868 0.726 1.00 0.00 C ATOM 1134 CG LEU A 91 9.973 -6.752 1.382 1.00 0.00 C ATOM 1135 CD1 LEU A 91 9.943 -7.447 2.738 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.577 -5.295 1.524 1.00 0.00 C ATOM 0 H LEU A 91 9.708 -7.705 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 91 12.583 -8.018 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.109 -6.887 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.534 -5.967 0.139 1.00 0.00 H new ATOM 0 HG LEU A 91 9.252 -7.251 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.950 -7.347 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.179 -8.504 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.679 -6.988 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.594 -5.229 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.309 -4.778 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.543 -4.829 0.539 1.00 0.00 H new ATOM 1148 N SER A 92 10.323 -9.958 0.731 1.00 0.00 N ATOM 1149 CA SER A 92 10.106 -11.114 1.599 1.00 0.00 C ATOM 1150 C SER A 92 10.220 -12.428 0.824 1.00 0.00 C ATOM 1151 O SER A 92 10.746 -13.410 1.347 1.00 0.00 O ATOM 1152 CB SER A 92 8.727 -11.005 2.257 1.00 0.00 C ATOM 1153 OG SER A 92 8.572 -11.930 3.322 1.00 0.00 O ATOM 0 H SER A 92 9.490 -9.640 0.236 1.00 0.00 H new ATOM 0 HA SER A 92 10.880 -11.117 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.584 -9.992 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.954 -11.180 1.509 1.00 0.00 H new ATOM 0 HG SER A 92 7.681 -11.828 3.717 1.00 0.00 H new